4-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 4-[5-(2-amino-2-oxo-ethyl)sulfanyltetrazol-1-yl]-5-chloro-2-methoxy-benzoic acid CAS Name: 4-[5-[(2-amino-2-oxoethyl)thio]-1-tetrazolyl]-5-chloro-2-methoxybenzoic acid IUPAC Name: 4-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]-5-chloro-2-methoxybenzoic acid Traditional Name: 4-[5-[(2-amino-2-keto-ethyl)thio]tetrazol-1-yl]-5-chloro-2-methoxy-benzoic acid Formula: C11H10ClN5O4S MolecularWeight: 343.7462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)N2C(=NN=N2)SCC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)N2C(=NN=N2)SCC(=O)N

InChI

InChI=1S/C11H10ClN5O4S/c1-21-8-3-7(6(12)2-5(8)10(19)20)17-11(14-15-16-17)22-4-9(13)18/h2-3H,4H2,1H3,(H2,13,18)(H,19,20)